ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate

C11H11F3O2 — CID 141413645

IUPACethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(C)cc1F
InChIInChI=1S/C11H11F3O2/c1-3-16-10(15)11(13,14)8-5-4-7(2)6-9(8)12/h4-6H,3H2,1-2H3
InChIKeyKLDDAFDGJPMCKE-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.79
Rot. Bonds3

About ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate

ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate (PubChem CID 141413645) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate
PubChem CID141413645
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Nameethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(C)cc1F
InChIInChI=1S/C11H11F3O2/c1-3-16-10(15)11(13,14)8-5-4-7(2)6-9(8)12/h4-6H,3H2,1-2H3
InChIKeyKLDDAFDGJPMCKE-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
ethyl (3R)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propanoate
CID 171240303
ethyl 2,2-difluoro-2-(2,4,5-trimethylphenyl)acetate
CID 64985126
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
ethyl 2-[3-(aminomethyl)-2-fluorophenyl]-2,2-difluoroacetate
CID 166073143
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl 2-(4-bromo-2-fluorophenyl)-2-methylbutanoate
CID 117047713

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate (CID 141413645) is ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate is CCOC(=O)C(F)(F)c1ccc(C)cc1F.
What is the InChIKey of ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate?
The InChIKey is KLDDAFDGJPMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-3-16-10(15)11(13,14)8-5-4-7(2)6-9(8)12/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate?
ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate has a molecular weight of 232.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate is sourced from PubChem (CID 141413645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).